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Bayesian deep learning counts on the quality of posterior distribution estimation. However, the posterior of deep neural networks is highly multi-modal in nature, with local modes exhibiting varying generalization performance. Given a…

机器学习 · 计算机科学 2024-03-27 Bolian Li , Ruqi Zhang

This paper studies Generative Flow Networks (GFlowNets), which learn to sample objects proportionally to a given reward function through the trajectory of state transitions. In this work, we observe that GFlowNets tend to under-exploit the…

机器学习 · 计算机科学 2024-10-30 Hyosoon Jang , Yunhui Jang , Minsu Kim , Jinkyoo Park , Sungsoo Ahn

Generative Flow Networks (GFlowNets) are a class of generative models that sample objects in proportion to a specified reward function through a learned policy. They can be trained either on-policy or off-policy, needing a balance between…

机器学习 · 计算机科学 2025-03-04 Dominic Phillips , Flaviu Cipcigan

Generative Flow Networks (GFlowNets) learn to sample states proportional to an unnormalized reward. Despite their theoretical promise, practical training is often unstable, exhibiting severe loss spikes and mode collapse. To tackle this, we…

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

机器学习 · 计算机科学 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

The Generative Flow Network is a probabilistic framework where an agent learns a stochastic policy for object generation, such that the probability of generating an object is proportional to a given reward function. Its effectiveness has…

机器学习 · 计算机科学 2022-10-10 Ling Pan , Dinghuai Zhang , Aaron Courville , Longbo Huang , Yoshua Bengio

Machine learning models, and deep neural networks in particular, are increasingly deployed in risk-sensitive domains such as healthcare, environmental forecasting, and finance, where reliable quantification of predictive uncertainty is…

机器学习 · 计算机科学 2026-04-07 Asena Karolin Özdemir , Lars H. Heyen , Arvid Weyrauch , Achim Streit , Markus Götz , Charlotte Debus

This paper is about the problem of learning a stochastic policy for generating an object (like a molecular graph) from a sequence of actions, such that the probability of generating an object is proportional to a given positive reward for…

机器学习 · 计算机科学 2021-11-22 Emmanuel Bengio , Moksh Jain , Maksym Korablyov , Doina Precup , Yoshua Bengio

Generative Flow Networks (GFlowNets), a class of generative models have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from unnormalized reward distributions. Previous works…

机器学习 · 计算机科学 2024-09-17 Mohit Pandey , Gopeshh Subbaraj , Emmanuel Bengio

Distributed inference serves as a promising approach to enabling the inference of large language models (LLMs) at the network edge. It distributes the inference process to multiple devices to ensure that the LLMs can fit into the device…

分布式、并行与集群计算 · 计算机科学 2026-01-13 Xing Liu , Lizhuo Luo , Ming Tang , Chao Huang , Xu Chen

Generative Flow Networks (GFlowNets) are amortized inference models designed to sample from unnormalized distributions over composable objects, with applications in generative modeling for tasks in fields such as causal discovery, NLP, and…

机器学习 · 计算机科学 2026-04-13 Tiago da Silva , Eliezer de Souza da Silva , Diego Mesquita

Multimedia systems underpin modern digital interactions, facilitating seamless integration and optimization of resources across diverse multimedia applications. To meet growing personalization demands, multimedia systems must efficiently…

多媒体 · 计算机科学 2025-08-26 Yili Jin , Ling Pan , Rui-Xiao Zhang , Jiangchuan Liu , Xue Liu

Generative Flow Networks (GFlowNets) have shown promising potential to generate high-scoring candidates with probability proportional to their rewards. As existing GFlowNets freely explore in state space, they encounter significant…

机器学习 · 计算机科学 2026-02-13 Xuan Yu , Xu Wang , Rui Zhu , Yudong Zhang , Yang Wang

Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…

机器学习 · 计算机科学 2023-11-08 Elaine Lau , Nikhil Vemgal , Doina Precup , Emmanuel Bengio

The increasingly deeper neural networks hinder the democratization of privacy-enhancing distributed learning, such as federated learning (FL), to resource-constrained devices. To overcome this challenge, in this paper, we advocate the…

机器学习 · 计算机科学 2024-01-25 Zheng Lin , Guangyu Zhu , Yiqin Deng , Xianhao Chen , Yue Gao , Kaibin Huang , Yuguang Fang

Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a…

机器学习 · 计算机科学 2023-06-21 Ling Pan , Nikolay Malkin , Dinghuai Zhang , Yoshua Bengio

Traditional reinforcement learning often struggles to generate diverse, high-reward solutions, especially in domains like drug design and black-box function optimization. Markov Chain Monte Carlo (MCMC) methods provide an alternative method…

机器学习 · 计算机科学 2024-10-02 Siyi He

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

机器学习 · 计算机科学 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Generative Flow Networks (GFlowNets) have emerged as a powerful paradigm for generating composite structures, demonstrating considerable promise across diverse applications. While substantial progress has been made in exploring their…

机器学习 · 计算机科学 2025-05-06 Tianshu Yu

Most Graph Neural Networks follow the standard message-passing framework where, in each step, all nodes simultaneously communicate with each other. We want to challenge this paradigm by aligning the computation more closely to the execution…

机器学习 · 计算机科学 2024-06-04 Joël Mathys , Florian Grötschla , Kalyan Varma Nadimpalli , Roger Wattenhofer